Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.34 |
| ▸ | GABRD | O14764 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | GABRE | P78334 | 2/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL3389411 | 0.92 | ALOX15 (0.44) | ALOX15ALDH1A1TRPA1GABRPGABRD | |
| Acetic Acid SCHEMBL3388442 | 0.91 | ALOX15 (0.42) | ALOX15ALDH1A1TRPA1GABRPGABRD | |
| Acetic Acid SCHEMBL7950964 | 0.90 | ALDH1A1 (0.52) | ALOX15ALDH1A1TRPA1GABRPGABRD | |
| 1,3-Butanediol SCHEMBL2160926 | 0.84 | ALDH1A1 (0.34) | ALOX15ALDH1A1GABRPGABRDGABRA1 | |
| Acetic Acid SCHEMBL7948562 | 0.82 | ALDH1A1 (0.42) | ALOX15ALDH1A1TRPA1GABRPGABRD | |
| Bicarbonate SCHEMBL18224038 | 0.82 | ALDH1A1 (0.48) | ALOX15ALDH1A1TRPA1GABRPGABRD | |
| Acetic Acid SCHEMBL2160893 | 0.80 | AKR1B1 (0.38) | ALOX15ALDH1A1TRPA1FFAR3LCK | |
| Acetic Acid SCHEMBL2160566 | 0.79 | FFAR3 (0.47) | ALDH1A1TRPA1FFAR3LCKFYN | |
| Acetic Acid SCHEMBL27509837 | 0.79 | FFAR3 (0.47) | ALDH1A1TRPA1FFAR3LCKFYN | |
| Citronellol SCHEMBL3326297 | 0.79 | ALOX15 (0.84) | ALOX15ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080241704-A1 | Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same | UBE INDUSTRIES, LTD (JP) | 2008-10-02 | — | — | US | disclosed |